SCHEMBL4400080

SCHEMBL4400080

Cc1ccc(Nc2nc(-c3ccccc3)c(C(=O)c3sc(Nc4ccc(C)cc4)nc3-c3ccccc3)s2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.71
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
GAA P10253 2/20 0.67
MAPT P10636 2/20 0.67
DHODH Q02127 9/20 0.64
ADORA3 P0DMS8 3/20 0.62
ADORA1 P30542 3/20 0.62
ADORA2A P29274 2/20 0.62
ALDH1A1 P00352 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 1/20 0.55
HPGD P15428 1/20 0.55
PPARG P37231 1/20 0.55
NCOA2 Q15596 1/20 0.55
NCOA1 Q15788 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
ALOX5 P09917 1/20 0.55
PTGS2 P35354 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4402464 0.90 ADORA2B (0.86) ADORA2BMEN1KMT2AGAAMAPT
SCHEMBL4393456 0.87 DHODH (0.75) ADORA2BMEN1KMT2AGAAMAPT
SCHEMBL4395567 0.86 ADORA2B (0.71) ADORA2BMEN1KMT2AGAAMAPT
SCHEMBL31423856 0.80 ADORA2B (0.74) ADORA2BMEN1KMT2AGAAMAPT
SCHEMBL4395486 0.80 ADORA3 (0.61) ADORA2BMEN1KMT2AMAPTDHODH
SCHEMBL4393284 0.80 ADORA3 (0.69) ADORA2BMEN1KMT2AMAPTADORA3
SCHEMBL4398771 0.79 ADORA2B (0.64) ADORA2BMEN1KMT2AGAAMAPT
SCHEMBL27971291 0.78 DHODH (1.00) MEN1KMT2AMAPTDHODHHPGD
SCHEMBL27607808 0.78 MAPT (0.57) ADORA2BMEN1KMT2AGAAMAPT
SCHEMBL14345629 0.77 ADORA2B (0.62) ADORA2BMEN1KMT2AGAAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829014-B2 Thiazole and thiophene analogues, and their use in treating autoimmune diseases and cancers BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2014-09-09 US disclosed
EP-2007393-B1 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS UNIV LOUISIANA STATE (US) 2013-08-21 EP disclosed
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers GIORDANO ANTHONY (US) 2012-11-08 US disclosed
US-8217037-B2 Thiazole and thiophene analogues, and their use in treating autoimmune diseases and cancers BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2012-07-10 US disclosed
US-20090306073-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers B.V. PATEL PHARMACEUTICAL EDUCATION & RESEARCH DEVELOPMENT (PERD) CENTRE (IN) 2009-12-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090306073-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB ADORA2B 2449/4885MEN1 1180/4885KMT2A 2707/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB ADORA2B 2449/4885MEN1 1180/4885KMT2A 2707/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.